CID 3017052

1-(2-chloroethyl)-4-methylpiperidinium chloride

Structural Information

Molecular Formula
C8H16ClN
SMILES
CC1CCN(CC1)CCCl
InChI
InChI=1S/C8H16ClN/c1-8-2-5-10(6-3-8)7-4-9/h8H,2-7H2,1H3
InChIKey
BCMLPRKOEKRSOL-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-4-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

161.09712 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.10440 135.4
[M+Na]+ 184.08634 141.7
[M-H]- 160.08984 136.5
[M+NH4]+ 179.13094 155.7
[M+K]+ 200.06028 138.8
[M+H-H2O]+ 144.09438 129.8
[M+HCOO]- 206.09532 149.9
[M+CH3COO]- 220.11097 177.1
[M+Na-2H]- 182.07179 139.9
[M]+ 161.09657 133.2
[M]- 161.09767 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe